Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 4/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | QRFPR | Q96P65 | 6/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12010845 | 0.83 | DRD2 (0.47) | ALDH1A1POLBMAPTSMN1; SMN2PDK2 | |
| SCHEMBL12010846 | 0.83 | ALDH1A1 (0.39) | ALDH1A1POLBMAPTSMN1; SMN2PDK2 | |
| SCHEMBL19033381 | 0.81 | RXRA (0.48) | ALDH1A1POLBMAPTSMN1; SMN2PDK2 | |
| SCHEMBL1787581 | 0.78 | HRH3 (0.48) | CYP2D6 | |
| SCHEMBL1787583 | 0.78 | MAPT (0.40) | ALDH1A1POLBMAPTSMN1; SMN2PDK2 | |
| SCHEMBL12010814 | 0.78 | OPRD1 (0.43) | POLBMAPTQRFPRKCNH2CYP2D6 | |
| SCHEMBL14615342 | 0.77 | ALDH1A1 (0.52) | ALDH1A1MAOAMAOBDRD2DRD3 | |
| SCHEMBL5151266 | 0.77 | SLC22A12 (0.49) | ALDH1A1POLBMAPTMAOAMAOB | |
| SCHEMBL12683145 | 0.76 | MAOA (0.50) | MAOAMAOBDRD2DRD3SLC6A4 | |
| SCHEMBL12010808 | 0.75 | DRD2 (0.37) | QRFPRKCNH2CYP2D6KCNE1SCN5A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8252785-B2 | Aryl sulfonamides as bradykinin-B1-receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-28 | — | — | US | disclosed |
| US-8252785-B2 | Aryl sulfonamides as bradykinin-B1-receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-28 | — | — | US | disclosed |